Monomers
Phosphonic acid, (1-bromoethenyl)-, diethyl ester
Identifiers
IUPAC name
1-bromo-1-diethoxyphosphorylethene
InchI
InChI=1S/C6H12BrO3P/c1-4-9-11(8,6(3)7)10-5-2/h3-5H2,1-2H3
InchI Key
SQMBBBWHQORDNI-UHFFFAOYSA-N
SMILES
CCOP(=O)(C(=C)Br)OCC
Canonical SMILES
CCOP(=O)(C(=C)Br)OCC
Isomeric SMILES
CCOP(=O)(C(=C)Br)OCC
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C6H12BrO3P
Heavy Atom Count
11
Molecular Weight
243.037
Exact Molecular Weight
241.9707
Valence Electrons
66
Radical Electrons
0
tPSA
35.53
MolLogP
3.1186
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
23 22 0 0 0 0 0 0 0 0999 V2000
-3.0987 -1.3777 0.2193 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0349 -0.3366 0.0868 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0367 -0.6936 -0.8134 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1602 0.4402 -0.9843 P 0 0 0 0 0 5 0 0 0 0 0 0
0.8130 0.3990 -2.3483 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3980 2.1136 -0.7144 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3283 2.7255 0.4475 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1345 3.0508 -2.2092 Br 0 0 0 0 0 0 0 0 0 0 0 0
1.3679 0.1286 0.1634 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1948 -0.9160 -0.2272 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2253 -1.0996 0.8685 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6240 -1.6047 -0.7169 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6145 -2.2954 0.6348 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8057 -1.0367 1.0056 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4911 0.6358 -0.1244 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5272 -0.2607 1.0880 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6747 3.7309 0.5666 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0853 2.1995 1.2874 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7729 -0.6122 -1.1442 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6703 -1.8352 -0.4812 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8484 -0.1778 0.9163 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9083 -1.9353 0.6320 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7218 -1.2425 1.8474 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 2 0
4 6 1 0
6 7 2 3
6 8 1 0
4 9 1 0
9 10 1 0
10 11 1 0
1 12 1 0
1 13 1 0
1 14 1 0
2 15 1 0
2 16 1 0
7 17 1 0
7 18 1 0
10 19 1 0
10 20 1 0
11 21 1 0
11 22 1 0
11 23 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers